1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide

C8H14F3NO2S — CID 71026178

IUPAC1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
SMILESC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyXDWCJCRRBDOTPP-RQJHMYQMSA-N
MW245.27 g/mol
LogP2.00
Rot. Bonds2

About 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide

1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide (PubChem CID 71026178) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
PubChem CID71026178
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
SMILESC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyXDWCJCRRBDOTPP-RQJHMYQMSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide (CID 71026178) is 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide is C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide?
The InChIKey is XDWCJCRRBDOTPP-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide?
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 71026178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).